ACCESSION: MSBNK-RIKEN_ReSpect-PS029605
RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, M9020.
COMMENT: PRIMe compound in-house ID 296
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: Inversine hydrochloride
CH$NAME: 3-Methylaminoisocamphane hydrochloride
CH$NAME: 2-(Methylamino)isocamphane hydrochloride
CH$NAME: N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride
CH$NAME: Mecamine hydrochloride
CH$NAME: N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride
CH$NAME: Mecamylamine hydrochloride
CH$NAME: Mevasin hydrochloride
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C₁₁H₂₁N
CH$EXACT_MASS: 167.296
CH$SMILES: CC1(C2CCC(C2)C1(C)NC)C
CH$IUPAC: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3
CH$LINK: CAS 60-40-2
CH$LINK: KEGG C07511
CH$LINK: PUBCHEM CID:4032
CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 168.28

PK$SPLASH: splash10-001l-9000000000-7ab894f7006fb5b88f9c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  32.0 2584.0 39
  40.0 7054.0 106
  41.0 23123.0 347
  42.0 4679.0 70
  43.0 11401.0 171
  53.0 3706.0 56
  55.0 6226.0 93
  67.0 8173.0 123
  69.0 3665.0 55
  78.0 3434.0 51
  79.0 16495.0 247
  80.0 10222.0 153
  81.0 66651.0 999
  95.0 5488.0 82
//